SCHEMBL9592698

SCHEMBL9592698

COc1ccc2c(Nc3ccc(CO)cc3)c3cc(OC)c(OC)cc3nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ PHLPP2 Q6ZVD8 2/20 0.51
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ CSF1R P07333 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ MAP2K1 Q02750 2/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ EGFR P00533 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ FGFR2 P21802 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9594446 0.93 HDAC1 (0.54) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9594489 0.93 KDM1A (0.59) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9594922 0.92 KDM1A (0.50) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9592115 0.92 KDM1A (0.50) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9593647 0.92 KDM1A (0.50) KDM1APOLBCSF1RTP53MAPT
SCHEMBL9594305 0.91 PHLPP2 (0.61) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9594500 0.88 KDM1A (0.49) KDM1AHDAC1HDAC6POLBKMT2A
SCHEMBL9594406 0.88 KDM1A (0.53) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9595260 0.88 TOP2A (0.58) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9594389 0.87 KDM1A (0.69) KDM1AHDAC1HDAC6PHLPP2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229395-A Potential anticancer agents derived from acridine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-07-20 — — US disclosed
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 — — WO disclosed
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